methyl 2-methyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propanoate

C15H21NO2 — CID 116995594

IUPACmethyl 2-methyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propanoate
SMILESCOC(=O)C(C)(C)C1c2ccccc2CCN1C
InChIInChI=1S/C15H21NO2/c1-15(2,14(17)18-4)13-12-8-6-5-7-11(12)9-10-16(13)3/h5-8,13H,9-10H2,1-4H3
InChIKeyTVPZNDBSNJVRLL-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.41
Rot. Bonds2

About methyl 2-methyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propanoate

methyl 2-methyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propanoate (PubChem CID 116995594) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl 2-methyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propanoate
PubChem CID116995594
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl 2-methyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propanoate
SMILESCOC(=O)C(C)(C)C1c2ccccc2CCN1C
InChIInChI=1S/C15H21NO2/c1-15(2,14(17)18-4)13-12-8-6-5-7-11(12)9-10-16(13)3/h5-8,13H,9-10H2,1-4H3
InChIKeyTVPZNDBSNJVRLL-UHFFFAOYSA-N
XLogP2.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propanenitrile
CID 116995595
methyl 2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-2-methylpropanoate
CID 132595611
2-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-methylpropanoic acid
CID 116995782
2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 116995645
dimethyl 2-(3,4-dihydro-1H-isochromen-1-yl)-2-methylpropanedioate
CID 102178177
1-(1-methoxy-2-methyl-1-oxopropan-2-yl)-1,4-dihydronaphthalene-2-carboxylic acid
CID 101089297
methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate
CID 83985069
methyl 2,2-dimethyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propanoate
CID 79619970
N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]acetamide
CID 21030190
methyl 2-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoate
CID 43726017
2-methyl-3,4-dihydro-1H-isoquinoline-1-thiol
CID 116995589
methyl 2-methyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanoate
CID 43726050

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propanoate?
The IUPAC name of methyl 2-methyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propanoate (CID 116995594) is methyl 2-methyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propanoate.
What is the SMILES notation for methyl 2-methyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propanoate?
The canonical SMILES for methyl 2-methyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propanoate is COC(=O)C(C)(C)C1c2ccccc2CCN1C.
What is the InChIKey of methyl 2-methyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propanoate?
The InChIKey is TVPZNDBSNJVRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2,14(17)18-4)13-12-8-6-5-7-11(12)9-10-16(13)3/h5-8,13H,9-10H2,1-4H3.
What are the key properties of methyl 2-methyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propanoate?
methyl 2-methyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propanoate has a molecular weight of 247.34 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propanoate is sourced from PubChem (CID 116995594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).